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2-[(4-Ethoxyphenyl)amino]-N'-(3-nitrobenzylidene)acetohydrazide
CCOc1ccc(cc1)NCC(=O)NN=Cc2cccc(c2)[N+](=O)[O-]
InChI=1S/C17H18N4O4/c1-2-25-16-8-6-14(7-9-16)18-12-17(22)20-19-11-13-4-3-5-15(10-13)21(23)24/h3-11,18H,2,12H2,1H3,(H,20,22)
QEKOQLLIDDVZHB-UHFFFAOYSA-N
CSID:673727, http://www.chemspider.com/Chemical-Structure.673727.html (accessed 05:33, Jul 24, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 531.12 (Adapted Stein & Brown method) Melting Pt (deg C): 227.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.01E-011 (Modified Grain method) Subcooled liquid VP: 4.44E-009 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 22.18 log Kow used: 2.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 154.02 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.48E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.113E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.46 (KowWin est) Log Kaw used: -13.460 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.920 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1777 Biowin2 (Non-Linear Model) : 0.0176 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0799 (months ) Biowin4 (Primary Survey Model) : 3.2142 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3012 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2357 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.92E-007 Pa (4.44E-009 mm Hg) Log Koa (Koawin est ): 15.920 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.07 Octanol/air (Koa) model: 2.04E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.4317 E-12 cm3/molecule-sec Half-Life = 0.186 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.235 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.146E+004 Log Koc: 4.059 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.195 (BCF = 15.68) log Kow used: 2.46 (estimated) Volatilization from Water: Henry LC: 8.48E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.277E+012 hours (5.323E+010 days) Half-Life from Model Lake : 1.394E+013 hours (5.807E+011 days) Removal In Wastewater Treatment: Total removal: 2.99 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.89 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.49e-006 4.47 1000 Water 15.2 1.44e+003 1000 Soil 84.7 2.88e+003 1000 Sediment 0.121 1.3e+004 0 Persistence Time: 2.33e+003 hr
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